@article{45e36d6ba8cc4e47ba33db48503a81e2,
title = "Exact time-dependent density-functional theory for nonperturbative dynamics of the helium atom",
abstract = "By inverting the time-dependent Kohn-Sham equation for a numerically exact dynamics of the helium atom, we show that the dynamical step and peak features of the exact correlation potential found previously in one-dimensional models persist for real three-dimensional systems. We demonstrate that the Kohn-Sham and true current densities differ by a rotational component. The results have direct implications for approximate time-dependent density functional theory calculations of atoms and molecules in strong fields, emphasizing the need to go beyond the adiabatic approximation, and highlighting caution in the quantitative use of the Kohn-Sham current.",
author = "Davood Dar and Lionel Lacombe and Johannes Feist and Maitra, {Neepa T.}",
note = "Funding Information: National Science Foundation U.S. Department of Energy Basic Energy Sciences Chemical Sciences, Geosciences, and Biosciences Division European Research Council Ministerio de Ciencia e Innovaci{\'o}n Agencia Estatal de Investigaci{\'o}n Funding Information: Financial support from the National Science Foundation Award No. CHE-1940333 (DD) and from the Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences under Award No. DESC0020044 (NTM, LL) are gratefully acknowledged. J.F. acknowledges financial support from the European Research Council through Grant No. ERC-2016-StG-714870, and by the Spanish Ministry for Science, Innovation, and Universities: Agencia Estatal de Investigaci{\'o}n through Grant No. RTI2018-099737-B-I00. Publisher Copyright: {\textcopyright}2021 American Physical Society",
year = "2021",
month = sep,
doi = "10.1103/PhysRevA.104.032821",
language = "English (US)",
volume = "104",
journal = "Physical Review A",
issn = "2469-9926",
publisher = "American Physical Society",
number = "3",
}